Vitas-M small molecule compound
N-[(E)-{5-[(4-bromophenoxy)methyl]furan-2-yl}methylidene]-3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine
Catalog ID
STK306307
SMILES CSc1nnc(n1/N=C/c1ccc(o1)COc1ccc(cc1)Br)C(F)F
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C16H13BrF2N4O2S MW 443.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13BrF2N4O2S/c1-26-16-22-21-15(14(18)19)23(16)20-8-12-6-7-13(25-12)9-24-11-4-2-10(17)3-5-11/h2-8,14H,9H2,1H3/b20-8+InChIKey
KFJPLPHMVIGOLK-DNTJNYDQSA-NSynonyms
828277-93-6(E)1(5((4bromophenoxy)methyl)furan2yl)N(3(difluoromethyl)5methylsulfanyl124triazol4yl)methanimine
828277936
CSC1=NN=C(N1N=CC2=CC=C(O2)COC3=CC=C(C=C3)Br)C(F)F
CSc1nnc(n1N=Cc1ccc(o1)COc1ccc(cc1)Br)C(F)F
InChI=1SC16H13BrF2N4O2Sc12616222115(14(18)19)23(16)208126713(2512)924114210(17)3511h2814H9H21H3b208+
MFCD04053599
N((E)(5((4bromophenoxy)methyl)furan2yl)methylidene)3(difluoromethyl)5(methylsulfanyl)4H124triazol4amine
ZINC000002789872
ZINC35678992
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